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A1BSF

Summary
Name:(3S)-1-[(2-ethylphenyl)acetyl]piperidine-3-carboxamide
Formula:C16 H22 N2 O2
Formal charge:0
Formula weight:274.358 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2-ethylphenyl)acetyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(2-ethylphenyl)ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1ccccc1CC)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C16H22N2O2/c1-2-12-6-3-4-7-13(12)10-15(19)18-9-5-8-14(11-18)16(17)20/h3-4,6-7,14H,2,5,8-11H2,1H3,(H2,17,20)/t14-/m0/s1
InChIKeyInChI1.06IFJNGSWSPUXOCR-AWEZNQCLSA-N
SMILES_CANONICALCACTVS3.385CCc1ccccc1CC(=O)N2CCC[C@@H](C2)C(N)=O
SMILESCACTVS3.385CCc1ccccc1CC(=O)N2CCC[CH](C2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CCc1ccccc1CC(=O)N2CCC[C@@H](C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0CCc1ccccc1CC(=O)N2CCCC(C2)C(=O)N

248636

PDB entries from 2026-02-04

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